CHEBI:69782 - shizukaol A

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ChEBI Name shizukaol A
ChEBI ID CHEBI:69782
Definition A natural product found in Chloranthus japonicus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H34O6
Net Charge 0
Average Mass 502.59810
Monoisotopic Mass 502.23554
InChI InChI=1S/C31H34O6/c1-11-14-7-19(14)29(4)17(11)10-18-12(2)28(35)37-31(18)21(29)9-16-15-8-20(15)30(5)23(16)24(31)22(25(32)26(30)33)13(3)27(34)36-6/h14-15,17,19-21,24,26,33H,1,7-10H2,2-6H3/b22-13-/t14-,15+,17-,19-,20+,21-,24-,26-,29+,30-,31-/m0/s1
InChIKey GQSUZVYXPAKHQW-DMAWVQMSSA-N
SMILES [H][C@@]12C[C@]1([H])[C@@]1(C)[C@@]([H])(CC3=C(C)C(=O)O[C@]33[C@@]1([H])CC1=C4[C@]3([H])\C(C(=O)[C@H](O)[C@@]4(C)[C@]3([H])C[C@]13[H])=C(/C)C(=O)OC)C2=C
Metabolite of Species Details
Chloranthus japonicus (NCBI:txid13007) Found in whole plant (BTO:0001461). Methanolic extract of dried and powdered plant See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing shizukaol A (CHEBI:69782) has role metabolite (CHEBI:25212)
shizukaol A (CHEBI:69782) is a triterpenoid (CHEBI:36615)
Citation Waiting for Citations Type Source
21650224 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:cyclohexanones(CHEBI:23482); ISA:butenolide(CHEBI:50523); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);